CID 87485757

2-{[3-(trifluoromethoxy)phenoxy]methyl}oxirane

Structural Information

Molecular Formula
C10H9F3O3
SMILES
C1C(O1)COC2=CC(=CC=C2)OC(F)(F)F
InChI
InChI=1S/C10H9F3O3/c11-10(12,13)16-8-3-1-2-7(4-8)14-5-9-6-15-9/h1-4,9H,5-6H2
InChIKey
PMPDOIOTZYCPMY-UHFFFAOYSA-N
Compound name
2-[[3-(trifluoromethoxy)phenoxy]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

234.05038 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05766 140.7
[M+Na]+ 257.03960 150.8
[M-H]- 233.04310 145.3
[M+NH4]+ 252.08420 152.6
[M+K]+ 273.01354 149.5
[M+H-H2O]+ 217.04764 131.3
[M+HCOO]- 279.04858 160.3
[M+CH3COO]- 293.06423 190.9
[M+Na-2H]- 255.02505 148.2
[M]+ 234.04983 143.4
[M]- 234.05093 143.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe